Reaction Details | |||
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Target | Plasma kallikrein | ||
Ligand | BDBM50326019 | ||
Substrate/Competitor | n/a | ||
Meas. Tech. | ChEMBL_655590 (CHEMBL1244634) | ||
IC50 | >10000±n/a nM | ||
Citation | Heinis, C; Rutherford, T; Freund, S; Winter, G Phage-encoded combinatorial chemical libraries based on bicyclic peptides. Nat Chem Biol5:502-7 (2009) [PubMed] Article | ||
More Info.: | Get all data from this article, Assay Method | ||
Plasma kallikrein | |||
Name: | Plasma kallikrein | ||
Synonyms: | Fletcher factor | KLK3 | KLKB1 | KLKB1_HUMAN | Kallikrein | Kininogenin | Plasma kallikrein heavy chain | Plasma kallikrein light chain | Plasma prekallikrein | ||
Type: | Protein | ||
Mol. Mass.: | 71391.16 | ||
Organism: | Homo sapiens (Human) | ||
Description: | P03952 | ||
Residue: | 638 | ||
Sequence: |
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BDBM50326019 | |||
n/a | |||
Name | BDBM50326019 | ||
Synonyms: | (2R,5S,8S,11S,14S,17S)-1-((S)-2-((5R,8S,11S,14S,17S,20S)-1-amino-14-(2-carboxyethyl)-17-(carboxymethyl)-8-isobutyl-5-(mercaptomethyl)-11-methyl-1,4,7,10,13,16,19-heptaoxo-3,6,9,12,15,18-hexaazahenicosan-20-ylcarbamoyl)pyrrolidin-1-yl)-5-(2-amino-2-oxoethyl)-17-((S)-2-((R)-2-((S)-2-aminopropanamido)-3-mercaptopropanamido)-3-hydroxypropanamido)-11-benzyl-8,14-bis(3-guanidinopropyl)-2-(mercaptomethyl)-1,4,7,10,13,16-hexaoxo-3,6,9,12,15-pentaazanonadecan-19-oic acid | CHEMBL1240701 | ||
Type | Small organic molecule | ||
Emp. Form. | C72H115N25O25S3 | ||
Mol. Mass. | 1827.031 | ||
SMILES | [#6]-[#6](-[#6])-[#6]-[#6@H](-[#7]-[#6](=O)-[#6@H](-[#6])-[#7]-[#6](=O)-[#6@H](-[#6]-[#6]-[#6](-[#8])=O)-[#7]-[#6](=O)-[#6@H](-[#6]-[#6](-[#8])=O)-[#7]-[#6](=O)-[#6@H](-[#6])-[#7]-[#6](=O)-[#6@@H]-1-[#6]-[#6]-[#6]-[#7]-1-[#6](=O)-[#6@H](-[#6]-[#16])-[#7]-[#6](=O)-[#6@H](-[#6]-[#6](-[#7])=O)-[#7]-[#6](=O)-[#6@H](-[#6]-[#6]-[#6]\[#7]=[#6](/[#7])-[#7])-[#7]-[#6](=O)-[#6@H](-[#6]-c1ccccc1)-[#7]-[#6](=O)-[#6@H](-[#6]-[#6]-[#6]\[#7]=[#6](/[#7])-[#7])-[#7]-[#6](=O)-[#6@H](-[#6]-[#6](-[#8])=O)-[#7]-[#6](=O)-[#6@H](-[#6]-[#8])-[#7]-[#6](=O)-[#6@H](-[#6]-[#16])-[#7]-[#6](=O)-[#6@H](-[#6])-[#7])-[#6](=O)-[#7]-[#6@@H](-[#6]-[#16])-[#6](=O)-[#7]-[#6]-[#6](-[#7])=O |r| | ||
Structure |